4ZFJ
Ergothioneine-biosynthetic Ntn hydrolase EgtC, apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-10-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 128.977, 69.507, 160.375 |
| Unit cell angles | 90.00, 94.84, 90.00 |
Refinement procedure
| Resolution | 47.641 - 1.750 |
| R-factor | 0.1509 |
| Rwork | 0.149 |
| R-free | 0.18010 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.176 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.2) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.640 | 47.640 | 1.780 |
| High resolution limit [Å] | 1.750 | 9.590 | 1.750 |
| Rmerge | 0.074 | 0.028 | 0.654 |
| Rpim | 0.047 | 0.017 | 0.415 |
| Total number of observations | 958644 | 6229 | 47488 |
| Number of reflections | 283662 | ||
| <I/σ(I)> | 10.3 | 24.9 | 1.9 |
| Completeness [%] | 99.6 | 98.7 | 99.8 |
| Redundancy | 3.4 | 3.4 | 3.4 |
| CC(1/2) | 0.998 | 0.999 | 0.697 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MES pH 6.4, 10-12% PEG 20000 | |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MES pH 6.4, 10-12% PEG 20000 |
